4-[(2,6-dimethylcyclohexyl)amino]-N-ethyl-3-methylbenzamide

C18H28N2O — CID 60934848

IUPAC4-[(2,6-dimethylcyclohexyl)amino]-N-ethyl-3-methylbenzamide
SMILESCCNC(=O)c1ccc(NC2C(C)CCCC2C)c(C)c1
InChIInChI=1S/C18H28N2O/c1-5-19-18(21)15-9-10-16(14(4)11-15)20-17-12(2)7-6-8-13(17)3/h9-13,17,20H,5-8H2,1-4H3,(H,19,21)
InChIKeyYADNILVJDHYUGM-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.98
Rot. Bonds4

About 4-[(2,6-dimethylcyclohexyl)amino]-N-ethyl-3-methylbenzamide

4-[(2,6-dimethylcyclohexyl)amino]-N-ethyl-3-methylbenzamide (PubChem CID 60934848) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 4-[(2,6-dimethylcyclohexyl)amino]-N-ethyl-3-methylbenzamide.

Molecular Properties

Compound Name4-[(2,6-dimethylcyclohexyl)amino]-N-ethyl-3-methylbenzamide
PubChem CID60934848
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name4-[(2,6-dimethylcyclohexyl)amino]-N-ethyl-3-methylbenzamide
SMILESCCNC(=O)c1ccc(NC2C(C)CCCC2C)c(C)c1
InChIInChI=1S/C18H28N2O/c1-5-19-18(21)15-9-10-16(14(4)11-15)20-17-12(2)7-6-8-13(17)3/h9-13,17,20H,5-8H2,1-4H3,(H,19,21)
InChIKeyYADNILVJDHYUGM-UHFFFAOYSA-N
XLogP3.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2,5-dimethylcyclohexyl)amino]-N-ethyl-3-methylbenzamide
CID 64761485
4-[(3,3-dimethylcyclopentyl)amino]-N-ethyl-3-methylbenzamide
CID 80706223
N,3-dimethyl-4-[(2-methylcyclopentyl)amino]benzamide
CID 65044342
4-(1-cyclopropylethylamino)-N-ethyl-3-methylbenzamide
CID 54864939
N-ethyl-4-methyl-3-[(4-methylcycloheptyl)amino]benzamide
CID 65080069
3-[(2,6-dimethylcyclohexyl)amino]-4-methylbenzoic acid
CID 43727451
3-amino-N-ethyl-4-[(2-methylcyclopropyl)amino]benzamide
CID 82999769
N-ethyl-3-methyl-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]benzamide
CID 60934341
4-amino-N-ethyl-3-[(2-methylcyclohexyl)methylamino]benzamide
CID 63358840
4-hydroxy-3-methyl-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107676879
N-ethyl-4-methyl-3-[(4-methylcyclohexyl)amino]benzamide
CID 43734886
N-ethyl-3-[(2-methylcyclopentyl)amino]benzamide
CID 65044409

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylcyclohexyl)amino]-N-ethyl-3-methylbenzamide?
The IUPAC name of 4-[(2,6-dimethylcyclohexyl)amino]-N-ethyl-3-methylbenzamide (CID 60934848) is 4-[(2,6-dimethylcyclohexyl)amino]-N-ethyl-3-methylbenzamide.
What is the SMILES notation for 4-[(2,6-dimethylcyclohexyl)amino]-N-ethyl-3-methylbenzamide?
The canonical SMILES for 4-[(2,6-dimethylcyclohexyl)amino]-N-ethyl-3-methylbenzamide is CCNC(=O)c1ccc(NC2C(C)CCCC2C)c(C)c1.
What is the InChIKey of 4-[(2,6-dimethylcyclohexyl)amino]-N-ethyl-3-methylbenzamide?
The InChIKey is YADNILVJDHYUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-5-19-18(21)15-9-10-16(14(4)11-15)20-17-12(2)7-6-8-13(17)3/h9-13,17,20H,5-8H2,1-4H3,(H,19,21).
What are the key properties of 4-[(2,6-dimethylcyclohexyl)amino]-N-ethyl-3-methylbenzamide?
4-[(2,6-dimethylcyclohexyl)amino]-N-ethyl-3-methylbenzamide has a molecular weight of 288.44 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylcyclohexyl)amino]-N-ethyl-3-methylbenzamide is sourced from PubChem (CID 60934848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).